SCHEMBL16061135

SCHEMBL16061135

CCc1nc(N)c2c(CC)nn(-c3cccc(C)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ DHFR P00374 1/20 0.45
▸ MAPT P10636 5/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HEXA P06865 1/20 0.40
▸ HEXB P07686 1/20 0.40
▸ CCNE2 O96020 3/20 0.39
▸ CCNE1 P24864 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3403614 0.81 KDM4E (0.55) ALDH1A1DHFRMAPTLMNAKDM4E
Ammonia Solution, Strong SCHEMBL28485616 0.73 KDM4E (0.45) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL23402852 0.70 ALDH1A1 (0.44) ALDH1A1DHFRMAPTLMNAMAPK1
SCHEMBL22567087 0.68 KHK (0.47) ALDH1A1DHFRMAPTLMNAPDE4A
SCHEMBL23402531 0.68 ALDH1A1 (0.45) ALDH1A1DHFRMAPTLMNAMAPK1
SCHEMBL23398573 0.68 ALDH1A1 (0.45) ALDH1A1DHFRMAPTLMNAMAPK1
SCHEMBL23401898 0.68 ALDH1A1 (0.42) ALDH1A1DHFRMAPTLMNAMAPK1
Hydrochloric Acid SCHEMBL22559675 0.68 KHK (0.46) ALDH1A1DHFRMAPTLMNAPDE4A
Hydrochloric Acid SCHEMBL29369186 0.68 KHK (0.46) ALDH1A1DHFRMAPTLMNAPDE4A
SCHEMBL23402183 0.67 ALDH1A1 (0.44) ALDH1A1DHFRMAPTLMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288066-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS IN THE INNER EAR OF ADULT MAMMALS Massachusetts Eye and Ear Infirmary (US) 2023-12-13 — — EP disclosed
WO-2014145205-A2 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTION MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-18 — — WO disclosed
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